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Information card for entry 1549898
Preview
| Coordinates | 1549898.cif |
|---|---|
| Structure factors | 1549898.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine |
|---|---|
| Formula | C22 H36 N2 |
| Calculated formula | C22 H36 N2 |
| SMILES | N1(CCCCC1)Cc1c(C)c(c(CN2CCCCC2)c(c1C)C)C |
| Title of publication | 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine |
| Authors of publication | Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 9 |
| Pages of publication | x181237 |
| a | 5.6271 ± 0.0004 Å |
| b | 21.1764 ± 0.0014 Å |
| c | 8.2787 ± 0.0005 Å |
| α | 90° |
| β | 105.86 ± 0.002° |
| γ | 90° |
| Cell volume | 948.95 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1549898.cif 1549898.hkl |
| 210558 | 2018-09-08 | cif/ hkl/ Adding structures of 1549898 via cif-deposit CGI script. |
1549898.cif 1549898.hkl |
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Users of the data should acknowledge the original authors of the
structural data.